Surface Site-Specific Replacement for Catalysis Selectivity Switching

Surface atom replacement in materials without other composition/structure
changes is challenging but is important for fundamental scientific
research and for practical applications. In particular, for nanoparticles
including nanoclusters, surface metal site-specific replacement with
atomic precision has not yet been achieved. In this study, we for
the first time achieved surface site-specific antigalvanic replacement
with the remaining composition/structure and surface replacement-dependent
selectivity in the electrocatalytic reduction of CO2. Density
functional theory (DFT) calculations describe the catalysis selectivity
switch induced by replacing Ag with Cu and explain why Cu replacement
facilitates C2 production. Also, CO2 electroreduction
to C2 on well-defined metal nanoclusters is first reported
in this study.